N-[(3-but-3-enoxy-6-methyl-2-pyridinyl)methyl]ethanamine

C13H20N2O — CID 79151520

IUPACN-[(3-but-3-enoxy-6-methyl-2-pyridinyl)methyl]ethanamine
SMILESC=CCCOc1ccc(C)nc1CNCC
InChIInChI=1S/C13H20N2O/c1-4-6-9-16-13-8-7-11(3)15-12(13)10-14-5-2/h4,7-8,14H,1,5-6,9-10H2,2-3H3
InChIKeyHWYVIWCCJQGDBB-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.45
Rot. Bonds7

About N-[(3-but-3-enoxy-6-methyl-2-pyridinyl)methyl]ethanamine

N-[(3-but-3-enoxy-6-methyl-2-pyridinyl)methyl]ethanamine (PubChem CID 79151520) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is N-[(3-but-3-enoxy-6-methyl-2-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-but-3-enoxy-6-methyl-2-pyridinyl)methyl]ethanamine
PubChem CID79151520
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC NameN-[(3-but-3-enoxy-6-methyl-2-pyridinyl)methyl]ethanamine
SMILESC=CCCOc1ccc(C)nc1CNCC
InChIInChI=1S/C13H20N2O/c1-4-6-9-16-13-8-7-11(3)15-12(13)10-14-5-2/h4,7-8,14H,1,5-6,9-10H2,2-3H3
InChIKeyHWYVIWCCJQGDBB-UHFFFAOYSA-N
XLogP2.45
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[(3-but-3-enoxy-6-methyl-2-pyridinyl)methyl]propan-1-amine
CID 79151149
N-[(3-but-3-enoxy-6-methyl-2-pyridinyl)methyl]-2-methoxyethanamine
CID 79158142
(3-but-3-enoxy-6-methyl-2-pyridinyl)methanamine
CID 79150479
4-[[2-(ethylaminomethyl)-6-methyl-3-pyridinyl]oxy]-2,2-dimethylbutanenitrile
CID 79151514
3-[[2-(ethylaminomethyl)-6-methyl-3-pyridinyl]oxy]-N,N-dimethylpropanamide
CID 79150504
N-[[6-methyl-3-(3-phenylpropoxy)-2-pyridinyl]methyl]ethanamine
CID 79157323
N-[[6-methyl-3-(3-pyrrolidin-1-ylpropoxy)-2-pyridinyl]methyl]ethanamine
CID 79151286
N-[[6-methyl-3-(pyrimidin-2-ylmethoxy)-2-pyridinyl]methyl]ethanamine
CID 79150991
ethyl 2-[[2-(ethylaminomethyl)-6-methyl-3-pyridinyl]oxy]acetate
CID 79151521
N-[[3-[(4-bromophenyl)methoxy]-6-methyl-2-pyridinyl]methyl]ethanamine
CID 79151204
N-[[6-methyl-3-(thiophen-3-ylmethoxy)-2-pyridinyl]methyl]ethanamine
CID 79150512
N-[[3-(2-ethoxyethoxy)-6-methyl-2-pyridinyl]methyl]propan-1-amine
CID 79150445

Frequently Asked Questions

What is the IUPAC name of N-[(3-but-3-enoxy-6-methyl-2-pyridinyl)methyl]ethanamine?
The IUPAC name of N-[(3-but-3-enoxy-6-methyl-2-pyridinyl)methyl]ethanamine (CID 79151520) is N-[(3-but-3-enoxy-6-methyl-2-pyridinyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-but-3-enoxy-6-methyl-2-pyridinyl)methyl]ethanamine?
The canonical SMILES for N-[(3-but-3-enoxy-6-methyl-2-pyridinyl)methyl]ethanamine is C=CCCOc1ccc(C)nc1CNCC.
What is the InChIKey of N-[(3-but-3-enoxy-6-methyl-2-pyridinyl)methyl]ethanamine?
The InChIKey is HWYVIWCCJQGDBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-4-6-9-16-13-8-7-11(3)15-12(13)10-14-5-2/h4,7-8,14H,1,5-6,9-10H2,2-3H3.
What are the key properties of N-[(3-but-3-enoxy-6-methyl-2-pyridinyl)methyl]ethanamine?
N-[(3-but-3-enoxy-6-methyl-2-pyridinyl)methyl]ethanamine has a molecular weight of 220.32 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-but-3-enoxy-6-methyl-2-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 79151520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).